1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine

C13H17F2N — CID 58902125

IUPAC1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine
SMILESCC(C)(c1cccc(C2(N)CC2)c1)C(F)F
InChIInChI=1S/C13H17F2N/c1-12(2,11(14)15)9-4-3-5-10(8-9)13(16)6-7-13/h3-5,8,11H,6-7,16H2,1-2H3
InChIKeyZTSGSVKMSGIDPA-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.18
Rot. Bonds3

About 1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine

1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine (PubChem CID 58902125) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine
PubChem CID58902125
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine
SMILESCC(C)(c1cccc(C2(N)CC2)c1)C(F)F
InChIInChI=1S/C13H17F2N/c1-12(2,11(14)15)9-4-3-5-10(8-9)13(16)6-7-13/h3-5,8,11H,6-7,16H2,1-2H3
InChIKeyZTSGSVKMSGIDPA-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine
CID 117112366
1-[3-(2-methoxypropan-2-yl)phenyl]cyclopentan-1-amine
CID 117112730
2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide
CID 115039072
2-[3-(1-aminocyclopentyl)phenyl]-2-methylpropan-1-ol
CID 117112780
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 80705627
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
3-(1,1-difluoro-2-methylpropan-2-yl)phenol
CID 105442000
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
3-(1-aminocyclopropyl)phenol
CID 55296554
1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine
CID 84779678
2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
CID 65007104

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine (CID 58902125) is 1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine is CC(C)(c1cccc(C2(N)CC2)c1)C(F)F.
What is the InChIKey of 1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine?
The InChIKey is ZTSGSVKMSGIDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-12(2,11(14)15)9-4-3-5-10(8-9)13(16)6-7-13/h3-5,8,11H,6-7,16H2,1-2H3.
What are the key properties of 1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine?
1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 58902125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).